Hierarchical Molecular Representation Learning via Fragment-Based Self-Supervised Embedding Prediction
arXiv:2602.20344v1 Announce Type: new Abstract: Graph self-supervised learning (GSSL) has demonstrated strong potential for generating expressive graph embeddings without the need for human annotations, making …
Jiele Wu, Haozhe Ma, Zhihan Guo, Thanh Vinh Vo, Tze Yun Leong
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